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(2R,3S)-2-tert-Butylthio-4-cyclohexyl-1-phenylbutan-3-ol
SpectraBase Compound ID 7MsgHOc5OUj
InChI InChI=1S/C20H32OS/c1-20(2,3)22-19(15-17-12-8-5-9-13-17)18(21)14-16-10-6-4-7-11-16/h5,8-9,12-13,16,18-19,21H,4,6-7,10-11,14-15H2,1-3H3/t18-,19+/m1/s1
InChIKey WEHHNHDDVIJODH-MOPGFXCFSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32OS
Exact Mass 320.217387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nMIWESreUI
Name (2R,3S)-2-tert-Butylthio-4-cyclohexyl-1-phenylbutan-3-ol
Alternate Name(s) (2R,3S)-3-(tert-butylsulfanyl)-1-cyclohexyl-4-phenyl-2-butanol (2S,3R)-2-tert-Butylthio-4-cyclohexyl-1-phenylbutan-3-ol (2R,3S)-3-(tert-butylthio)-1-cyclohexyl-4-phenyl-2-butanol (2R,3S)-3-tert-butylsulfanyl-1-cyclohexyl-4-phenylbutan-2-ol (2R,3S)-3-tert-butylsulfanyl-1-cyclohexyl-4-phenyl-butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32OS
InChI InChI=1S/C20H32OS/c1-20(2,3)22-19(15-17-12-8-5-9-13-17)18(21)14-16-10-6-4-7-11-16/h5,8-9,12-13,16,18-19,21H,4,6-7,10-11,14-15H2,1-3H3/t18-,19+/m1/s1
InChIKey WEHHNHDDVIJODH-MOPGFXCFSA-N
Molecular Weight 320.535 g/mol
SMILES O[C@@]([C@@](SC(C)(C)C)(Cc1ccccc1)[H])(CC1CCCCC1)[H]
SPLASH splash10-000i-2900000000-ef13828d794904b78249
Source of Spectrum F-52-2902-2
Wiley ID 795453